MolNFT v1 · #191422 · protein
Crystal structure of ferredoxin (FLAVODOXIN):NADP(+) oxidoreductase from klebsiella pneumoniae
8DOS · FLAVODOXIN/FERREDOXIN--NADP reductase: “Crystal structure of ferredoxin (FLAVODOXIN):NADP(+) oxidoreductase from klebsiella pneumoniae”. X-ray diffraction, 4 ligands (FAD, NAP, CA), 3 pockets (best druggability 0.78). MolNFT v1…
- PDB
- 8DOS
- Type
- protein
- Length
- 493 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- FLAVODOXIN/FERREDOXIN--NADP reductase
- EC
- 1.18.1.2, 1.19.1.1
- UniProt
- A0A0G3NED2
- Ligands
- FAD, NAP, CA, MG
- Pockets
- 3 · best druggability 0.78
Structure
x-ray diffraction · 2 distinct chains · 24% helix, 34% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | FLAVODOXIN/FERREDOXIN--NADP reductase (EC 1.18.1.2, 1.19.1.1) | protein | 247 | 24% helix, 34% strand | A0A0G3NED2 |
| B | FLAVODOXIN/FERREDOXIN--NADP reductase (EC 1.18.1.2, 1.19.1.1) | protein | 246 | 24% helix, 35% strand | A0A0G3NED2 |
Ligands and binding sites
- FAD · Flavin-adenine dinucleotide · ligand · 2 copies · chains A, B
- NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · ligand · 2 copies · chains A, B
- CA · Calcium ion · metal · 2 copies · chains A, B
- MG · Magnesium ion · metal · chains B
- 1PE · Pentaethylene glycol · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1188 | 0.78 | 0.80 | 101 | FAD, NAP, CA, MG |
| 2 | 237 | 0.51 | 0.75 | 36 | empty |
| 3 | 99 | 0.35 | 0.74 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 359 Ų buried · 13 hydrogen bonds · protein-protein
Compared structures
- 8DOS · Crystal structure of Ferredoxin (flavodoxin):NADP(+) oxidoreductase from Klebsiella… · the same entry in another collection · chain A against A, TM-score 1.00
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt A0A0G3NED2
- Elsewhere: RCSB PDB 8DOS · PDBe 8DOS · UniProt A0A0G3NED2
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